UCSF

ZINC15935002

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 No

Popular Name: BRD-K58716007-001-01-8 BRD-K58716007-001-01-8

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.52 1.47 -58.32 3 8 -1 138 389.438 4 ↓
Hi High (pH 8-9.5) 1.03 0.15 -107.32 2 8 -2 135 388.43 4 ↓
Hi High (pH 8-9.5) 0.98 -0.4 -96.87 2 8 -2 141 388.43 4 ↓
Mid Mid (pH 6-8) 1.03 0.07 -53.3 3 8 -1 133 389.438 4 ↓
Lo Low (pH 4.5-6) 1.03 0.1 -64.82 3 8 -1 137 389.438 4 ↓
Lo Low (pH 4.5-6) 0.52 1.4 -23.16 4 8 0 136 390.446 4 ↓
Lo Low (pH 4.5-6) 1.03 0.03 -32.55 4 8 0 135 390.446 4 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.